Fmoc-beta-Hoglu(Otbu)-OH

C₂₅H₂₉NO₆CAS 203854-49-3439.51 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₅H₂₉NO₆
Molar mass: 439.51 g/mol
Exact mass: 439.1995 Da
logP: 4.49Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

203854-49-3

SMILES

CC(C)(C)OC(=O)CC[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

XPCDWOCHPTYDPV-INIZCTEOSA-N

InChI

InChI=1S/C25H29NO6/c1-25(2,3)32-23(29)13-12-16(14-22(27)28)26-24(30)31-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3,(H,26,30)(H,27,28)/t16-/m0/s1

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Names and synonyms

1 names

Fmoc-L-beta-homoglutamic acid 6-tert-butyl ester

Work with Fmoc-beta-Hoglu(Otbu)-OH

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-beta-Glu(OtBu)-OH209252-17-584 % similar Fmoc-L-beta-homolysine(boc)203854-47-173 % similar Fmoc-(S)-3-amino-5-phenylpentanoic acid219967-74-567 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-967 % similar Fmoc-D-asp-otbu134098-70-767 % similar Boc-beta-Hoglu(Obzl)-OH218943-30-767 % similar Fmoc-L-Glu(OtBu)-OH monohydrate204251-24-167 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-366 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid159751-47-0 Fmoc-asp(ompe)-oh180675-08-5 Fmoc-N-methyl-L-glutamic acid 5-tert-butyl ester200616-40-6

Elsewhere

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